Methyl Rocaglate

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Properties Simple | Detailed

Formula C28H28O8
IUPAC Name methyl (1r,2r,3s,3ar,8bs)-1,8b-dihydroxy-6,8-di(methoxy)-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1h-cyclopenta[b]benzofuran-2-carboxylate
Molecular Mass 492.517 g·mol−1
Heat of Formation 243.7 ± 16.7 kJ·mol−1
Dipole Moment 1.93 ± 1.08 D
Volume 594.76 Å 3
Surface Area 477.51 Å 2
Point Group Symmetry C1
Synonyms
  • (1r,2r,3s,3ar,8bs)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1h-cyclopenta[b]benzofuran-2-carboxylic acid methyl ester
  • 1h-cyclopenta(b)benzofuran-2-carboxylic acid, 2,3,3a,8b-tetrahydro-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-, methyl ester, (1alpha,2alpha,3beta,3abeta,8bbeta)-
  • 1h-cyclopenta(b)benzofuran-2-carboxylic cid, 2,3,3a,8b-tetrahydro-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-, methyl ester, (1alpha,2alpha,3beta,3abeta,8bbeta)-
  • aglafoline
  • cmld2_000263
  • cmldbu00002646
  • methyl (1r,2r,3s,3ar,8bs)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1h-cyclopenta[b][1]benzoxole-2-carboxylate
  • methyl (1r,2r,3s,3ar,8bs)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1h-cyclopenta[b]benzofuran-2-carboxylate
CAS Number(s)
  • 143901-35-3
InChIKey VFTGDXPPYSWBSO-GWNOIRNCSA-N
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